| SpectraBase Compound ID | 7LUMCtmganf |
|---|---|
| InChI | InChI=1S/C16H21NO7/c1-3-9-23-15(18)5-4-6-16(19)24-11-12-7-8-13(17(20)21)14(10-12)22-2/h7-8,10H,3-6,9,11H2,1-2H3 |
| InChIKey | CAEDCFGYHQCATQ-UHFFFAOYSA-N |
| Mol Weight | 339.34 g/mol |
| Molecular Formula | C16H21NO7 |
| Exact Mass | 339.131802 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7aZvLxJdZD4 |
|---|---|
| Name | Glutaric acid, propyl 3-methoxy-4-nitrobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.131802013 u |
| Formula | C16H21NO7 |
| InChI | InChI=1S/C16H21NO7/c1-3-9-23-15(18)5-4-6-16(19)24-11-12-7-8-13(17(20)21)14(10-12)22-2/h7-8,10H,3-6,9,11H2,1-2H3 |
| InChIKey | CAEDCFGYHQCATQ-UHFFFAOYSA-N |
| Molecular Weight | 339.344 g/mol |
| SMILES | C(OCC1=CC=C(C(=C1)OC)N(=O)=O)(=O)CCCC(OCCC)=O |